SCHEMBL4752891

SCHEMBL4752891

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCN(CCO)CC2)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
SRC P12931 1/20 0.37
ABL2 P42684 1/20 0.37
KDM2B Q8NHM5 2/20 0.35
ESRRG P62508 5/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MGLL Q99685 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
DRD4 P21917 3/20 0.33
HTR1A P08908 2/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4018836 0.90 GRIN1 (0.38) KDM2BMGLLMEN1KMT2AGRIN1
SCHEMBL4020633 0.90 MEN1 (0.35) KDM2BESRRGOPRM1OPRD1OPRK1
SCHEMBL4025711 0.89 DRD2 (0.32) ABL1EGFRLCKSRCABL2
SCHEMBL4752161 0.88 KDM2B (0.33) ABL1EGFRLCKSRCABL2
SCHEMBL4749392 0.87 MGLL (0.36) KDM2BOPRM1MGLLMEN1KMT2A
SCHEMBL4751303 0.86 KDM2B (0.33) KDM2BESRRGMGLLMEN1KMT2A
SCHEMBL4752190 0.85 KDM2B (0.34) ABL1EGFRSRCABL2KDM2B
SCHEMBL4021646 0.85 MC4R (0.36) KDM2BESRRGOPRM1OPRD1MGLL
SCHEMBL4752848 0.85 KDM4E (0.37) ESRRGMGLLHTR1AMEN1KMT2A
SCHEMBL4752869 0.85 MEN1 (0.40) OPRM1MGLLMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed